3379-1167 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

3379-1167 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
3379-1167 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-1167
N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3379-1167

Molecular Formula

C28H31NO6 (C28 H31 NO6)

Compound Name

N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

IUPAC name

N-[3-(2H-13-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(34-dimethoxyphenyl)methyl]acetamide

SMILES

CC(N(CCC(c(cc1)cc2c1OCO2)c(cccc1)c1OC)Cc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C28H31NO6/c1-19(30)29(17-20-9-11-25(32-3)27(15-20)33-4)14-13-22(23-7-5-6-8-24(23)31-2)21-10-12-26-28(16-21)35-18-34-26/h5-12,15-16,22H,13-14,17-18H2,1-4H3/t22-/m0/s1

InChI Key

AHTQDECRPMPTOZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02927687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.567

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.42

Polar Surface Area

56.631

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

3379-1167 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3379-1167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-1167?
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What is the minimum amount of 3379-1167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-1167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-1167
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3379-1167 available by request